⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2222898 | 0.78 | — | — | |
| SCHEMBL23883124 | 0.73 | — | — | |
| SCHEMBL6337465 | 0.73 | — | — | |
| SCHEMBL2933677 | 0.71 | — | — | |
| SCHEMBL9576360 | 0.69 | — | — | |
| SCHEMBL10334560 | 0.69 | — | — | |
| SCHEMBL8163251 | 0.67 | — | — | |
| SCHEMBL21122887 | 0.67 | — | — | |
| SCHEMBL17030125 | 0.65 | — | — | |
| SCHEMBL2634500 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1036063-A1 | HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-09-20 | — | — | EP | disclosed |
| WO-1999026926-A1 | HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-06-03 | — | — | WO | disclosed |